N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

C11H21N3 — CID 70555213

IUPACN-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCN(CCCCC)C1=NCCN1
InChIInChI=1S/C11H21N3/c1-3-5-6-10-14(9-4-2)11-12-7-8-13-11/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyIODYHMMTACQMBJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.62
Rot. Bonds6

About N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 70555213) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID70555213
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCN(CCCCC)C1=NCCN1
InChIInChI=1S/C11H21N3/c1-3-5-6-10-14(9-4-2)11-12-7-8-13-11/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyIODYHMMTACQMBJ-UHFFFAOYSA-N
XLogP1.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 70555213) is N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is C=CCN(CCCCC)C1=NCCN1.
What is the InChIKey of N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IODYHMMTACQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-5-6-10-14(9-4-2)11-12-7-8-13-11/h4H,2-3,5-10H2,1H3,(H,12,13).
What are the key properties of N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 70555213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).